SIV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| O13 | C02 | sing | 1.34Å | 1.48Å | |
| O13 | C08 | sing | 1.46Å | 1.42Å | |
| C02 | C03 | sing | 1.51Å | 1.51Å | |
| C08 | C09 | sing | 1.54Å | 1.53Å | |
| C08 | C06 | sing | 1.56Å | 1.56Å | |
| C09 | O10 | sing | 1.43Å | 1.39Å | |
| C09 | C11 | sing | 1.54Å | 1.34Å | |
| O05 | C03 | sing | 1.43Å | 1.40Å | |
| C03 | C06 | sing | 1.54Å | 1.51Å | |
| C03 | O04 | sing | 1.43Å | 1.43Å | |
| C11 | O12 | sing | 1.44Å | 1.62Å | |
| C06 | O12 | sing | 1.44Å | 1.31Å | |
| C06 | O07 | sing | 1.43Å | 1.40Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| O04 | H041 | sing | 0.97Å | 0.95Å | |
| O05 | H051 | sing | 0.97Å | 0.95Å | |
| O07 | H071 | sing | 0.97Å | 0.95Å | |
| O10 | H101 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | O13 | 122.3° | 125.1° |
| O01 | C02 | C03 | 131.1° | 125.0° |
| C02 | O13 | C08 | 109.0° | 110.5° |
| O13 | C02 | C03 | 106.6° | 109.9° |
| O13 | C08 | C09 | 110.6° | 108.7° |
| O13 | C08 | C06 | 106.6° | 104.4° |
| O13 | C08 | H081 | 112.4° | 113.3° |
| C02 | C03 | O05 | 105.6° | 110.4° |
| C02 | C03 | C06 | 103.6° | 105.1° |
| C02 | C03 | O04 | 112.7° | 110.3° |
| C09 | C08 | C06 | 105.8° | 103.6° |
| C08 | C09 | O10 | 109.4° | 110.5° |
| C08 | C09 | C11 | 104.1° | 104.3° |
| C09 | C08 | H081 | 110.8° | 113.0° |
| C08 | C09 | H091 | 108.8° | 110.5° |
| C08 | C06 | C03 | 102.6° | 102.3° |
| C08 | C06 | O12 | 105.8° | 104.6° |
| C08 | C06 | O07 | 110.7° | 113.8° |
| C06 | C08 | H081 | 110.4° | 113.1° |
| O10 | C09 | C11 | 112.0° | 110.5° |
| O10 | C09 | H091 | 110.7° | 110.4° |
| C09 | O10 | H101 | 109.5° | 114.0° |
| C09 | C11 | O12 | 109.2° | 104.8° |
| C11 | C09 | H091 | 111.6° | 110.5° |
| C09 | C11 | H111 | 109.6° | 110.4° |
| C09 | C11 | H112 | 109.5° | 110.4° |
| O05 | C03 | C06 | 107.4° | 110.3° |
| O05 | C03 | O04 | 115.7° | 110.3° |
| C03 | O05 | H051 | 109.5° | 114.0° |
| C06 | C03 | O04 | 110.9° | 110.3° |
| C03 | C06 | O12 | 113.9° | 109.3° |
| C03 | C06 | O07 | 112.6° | 113.0° |
| C03 | O04 | H041 | 109.5° | 114.0° |
| C11 | O12 | C06 | 107.8° | 105.2° |
| O12 | C11 | H111 | 109.5° | 110.3° |
| O12 | C11 | H112 | 109.6° | 110.3° |
| O12 | C06 | O07 | 110.7° | 112.9° |
| C06 | O07 | H071 | 109.5° | 114.0° |
| H111 | C11 | H112 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O13 | C03 | 179.2° | 179.7° |
| O01 | C02 | O13 | C08 | 170.0° | 159.7° |
| O01 | C02 | C03 | O05 | 94.7° | 58.2° |
| O01 | C02 | C03 | C06 | 152.5° | 177.1° |
| O01 | C02 | C03 | O04 | 32.5° | 64.0° |
| C02 | O13 | C08 | C09 | 125.3° | 138.9° |
| C02 | O13 | C08 | C06 | 10.8° | 28.8° |
| O13 | C02 | C03 | O05 | 84.4° | 121.5° |
| O13 | C02 | C03 | C06 | 28.4° | 2.6° |
| O13 | C02 | C03 | O04 | 148.3° | 116.3° |
| C02 | O13 | C08 | H081 | 110.2° | 94.6° |
| C08 | O13 | C02 | C03 | 10.8° | 20.0° |
| O13 | C08 | C09 | C06 | 115.0° | 110.6° |
| O13 | C08 | C09 | H081 | 125.4° | 126.6° |
| O13 | C08 | C06 | H081 | 122.3° | 123.5° |
| O13 | C08 | C09 | O10 | 151.7° | 131.2° |
| O13 | C08 | C09 | C11 | 88.4° | 110.0° |
| O13 | C08 | C06 | C03 | 28.1° | 25.0° |
| O13 | C08 | C06 | O12 | 91.6° | 89.1° |
| O13 | C08 | C06 | O07 | 148.4° | 147.2° |
| O13 | C08 | C09 | H091 | 30.7° | 8.8° |
| C02 | C03 | C06 | C08 | 33.7° | 14.0° |
| C02 | C03 | O05 | C06 | 110.1° | 115.7° |
| C02 | C03 | O05 | O04 | 125.4° | 122.2° |
| C02 | C03 | C06 | O04 | 121.2° | 118.9° |
| C02 | C03 | C06 | O12 | 80.1° | 96.5° |
| C02 | C03 | C06 | O07 | 152.8° | 136.9° |
| C02 | C03 | O04 | H041 | 11.3° | 61.4° |
| C02 | C03 | O05 | H051 | 180.0° | 61.4° |
| C09 | C08 | C06 | H081 | 119.9° | 122.7° |
| C08 | C09 | O10 | C11 | 114.9° | 114.9° |
| C08 | C09 | O10 | H091 | 119.9° | 122.5° |
| C08 | C09 | C11 | H091 | 117.2° | 118.8° |
| C09 | C08 | C06 | C03 | 145.9° | 138.7° |
| C08 | C09 | C11 | O12 | 17.6° | 23.8° |
| C09 | C08 | C06 | O12 | 26.2° | 24.7° |
| C09 | C08 | C06 | O07 | 93.8° | 99.0° |
| C08 | C09 | C11 | H111 | 102.3° | 142.6° |
| C08 | C09 | C11 | H112 | 137.6° | 95.0° |
| C08 | C09 | O10 | H101 | 180.0° | 180.0° |
| C06 | C08 | C09 | O10 | 93.2° | 118.2° |
| C06 | C08 | C09 | C11 | 26.6° | 0.5° |
| C08 | C06 | C03 | O05 | 77.7° | 104.9° |
| C08 | C06 | C03 | O12 | 113.8° | 110.5° |
| C08 | C06 | C03 | O07 | 119.1° | 122.8° |
| C08 | C06 | C03 | O04 | 154.9° | 132.9° |
| C08 | C06 | O12 | C11 | 15.2° | 41.2° |
| C08 | C06 | O12 | O07 | 120.0° | 124.3° |
| C06 | C08 | C09 | H091 | 145.7° | 119.4° |
| C08 | C06 | O07 | H071 | 180.0° | 177.2° |
| O10 | C09 | C11 | H091 | 124.7° | 122.4° |
| O10 | C09 | C11 | O12 | 100.5° | 142.5° |
| O10 | C09 | C08 | H081 | 26.4° | 4.6° |
| O10 | C09 | C11 | H111 | 139.6° | 98.7° |
| O10 | C09 | C11 | H112 | 19.5° | 23.7° |
| C09 | C11 | O12 | H111 | 120.0° | 118.9° |
| C09 | C11 | O12 | H112 | 119.9° | 118.8° |
| C09 | C11 | O12 | C06 | 1.5° | 40.9° |
| C11 | C09 | C08 | H081 | 146.2° | 123.3° |
| C09 | C11 | H111 | H112 | 120.1° | 122.3° |
| C11 | C09 | O10 | H101 | 65.1° | 65.1° |
| O05 | C03 | C06 | O04 | 127.3° | 122.1° |
| O05 | C03 | C06 | O12 | 168.5° | 144.6° |
| O05 | C03 | C06 | O07 | 41.3° | 17.9° |
| O05 | C03 | O04 | H041 | 110.4° | 60.8° |
| C03 | C06 | O12 | C11 | 127.1° | 150.2° |
| C03 | C06 | O12 | O07 | 128.1° | 126.7° |
| C03 | C06 | C08 | H081 | 94.3° | 98.6° |
| C06 | C03 | O04 | H041 | 127.0° | 177.1° |
| C06 | C03 | O05 | H051 | 69.9° | 177.1° |
| C03 | C06 | O07 | H071 | 65.8° | 61.1° |
| O04 | C03 | C06 | O12 | 41.1° | 22.4° |
| O04 | C03 | C06 | O07 | 86.0° | 104.2° |
| O04 | C03 | O05 | H051 | 54.6° | 60.8° |
| C11 | O12 | C06 | O07 | 104.8° | 83.1° |
| O12 | C11 | C09 | H091 | 134.8° | 95.0° |
| O12 | C11 | H111 | H112 | 120.2° | 122.3° |
| O12 | C06 | C08 | H081 | 146.1° | 147.4° |
| C06 | O12 | C11 | H111 | 118.4° | 159.7° |
| C06 | O12 | C11 | H112 | 121.5° | 77.9° |
| O12 | C06 | O07 | H071 | 63.0° | 63.7° |
| O07 | C06 | C08 | H081 | 26.1° | 23.7° |
| H081 | C08 | C09 | H091 | 94.7° | 117.8° |
| H091 | C09 | C11 | H111 | 14.9° | 23.8° |
| H091 | C09 | C11 | H112 | 105.2° | 146.2° |
| H091 | C09 | O10 | H101 | 60.1° | 57.5° |
